2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide

C18H22N4O — CID 109319750

IUPAC2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)C)cc2)nc(NC2CC2)n1
InChIInChI=1S/C18H22N4O/c1-11(2)13-4-6-14(7-5-13)20-17(23)16-10-12(3)19-18(22-16)21-15-8-9-15/h4-7,10-11,15H,8-9H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyIFXQELVIKWTFBB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.74
Rot. Bonds5

About 2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide

2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109319750) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109319750
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)C)cc2)nc(NC2CC2)n1
InChIInChI=1S/C18H22N4O/c1-11(2)13-4-6-14(7-5-13)20-17(23)16-10-12(3)19-18(22-16)21-15-8-9-15/h4-7,10-11,15H,8-9H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyIFXQELVIKWTFBB-UHFFFAOYSA-N
XLogP3.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109319778
N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319833
N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
N-(4-acetylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322046
N-(4-acetylphenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322740
6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320900
2-(cyclopropylamino)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109319753
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109319743
2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322002
N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332882
5-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109180137
4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109201983

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109319750) is 2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)nc(NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is IFXQELVIKWTFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-11(2)13-4-6-14(7-5-13)20-17(23)16-10-12(3)19-18(22-16)21-15-8-9-15/h4-7,10-11,15H,8-9H2,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109319750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).